2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide

C13H20N2OS — CID 43249408

IUPAC2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSCCN
InChIInChI=1S/C13H20N2OS/c1-2-15(13(16)11-17-9-8-14)10-12-6-4-3-5-7-12/h3-7H,2,8-11,14H2,1H3
InChIKeyIVCNSNXKDXAEQN-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.73
Rot. Bonds7

About 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide

2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide (PubChem CID 43249408) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
PubChem CID43249408
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSCCN
InChIInChI=1S/C13H20N2OS/c1-2-15(13(16)11-17-9-8-14)10-12-6-4-3-5-7-12/h3-7H,2,8-11,14H2,1H3
InChIKeyIVCNSNXKDXAEQN-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 60929403
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 39076015
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
CID 7810165
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297707
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide (CID 43249408) is 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide?
The InChIKey is IVCNSNXKDXAEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-15(13(16)11-17-9-8-14)10-12-6-4-3-5-7-12/h3-7H,2,8-11,14H2,1H3.
What are the key properties of 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide?
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 43249408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).